24083-13-4Relevant articles and documents
Rational Design of Efficient Organic Phototherapeutic Agents via Perturbation Theory for Enhancing Anticancer Therapeutics
Xu, Yunjian,Zhao, Menglong,Wu, Licai,Li, Feiyang,Li, Mingdang,Xie, Mingjuan,Liu, Shujuan,Huang, Wei,Zhao, Qiang
, p. 1378 - 1383 (2019)
The development of efficient phototherapeutic agents (PTA) through rational and specific principles exhibits great potential to the biomedical field. In this study, a facile and rational strategy was used to design PTA through perturbation theory. Accordi
"colored" inorganic dopants for inducing liquid crystal chiral nematic and blue phases: Monitoring of dopant-host interaction by Raman spectroscopy
Yoshida, Jun,Tamura, Shuhei,Watanabe, Go,Kasahara, Yasutoshi,Yuge, Hidetaka
, p. 5103 - 5106 (2017)
A new ruthenium complex that effectively induces chiral nematic and blue phases upon doping with a nematic liquid crystal was developed. The red-colored dopant exhibits strong Raman scattering in solution and nematics even at low concentrations. Further m
Synthesis, mesomorphism, photophysics and device performance of liquid-crystalline pincer complexes of gold(iii)
Parker, Rachel R.,Liu, Denghui,Yu, Xiankang,Whitwood, Adrian C.,Zhu, Weiguo,Williams,Wang, Yafei,Lynam, Jason M.,Bruce, Duncan W.
supporting information, p. 1287 - 1302 (2021/02/12)
Emissive gold(iii) complexes of pincer 2,6-diphenylpyridines also bearing a phenylacetylide ligand have been modified at both the pincer and phenylacetylide to confer liquid crystalline properties, with most complexes showing a columnar hexagonal phase in
1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis
Velappan, Anand Babu,Kesamsetty, Dhanunjaya,Datta, Dhrubajyoti,Ma, Rui,Hari, Natarajan,Franzblau, Scott G.,Debnath, Joy
supporting information, (2020/10/02)
The high mortality rate and increasing prevalence of resistant Mtb are the major concerns for the Tuberculosis (TB) treatment in this century. To curtail the prevalence of resistant Mtb, we have prepared 1,3-oxazine-2-one based dual targeted molecules. Compound 67 and 68 were found to be equally active against replicating and non-replicatiing form of Mtb (MICMABA 3.48 and 2.97 μg/ml; MICLORA 2.94 and 2.15 μg/ml respectively). They had found to suppress the biosynthesis of alfa, methoxy and keto-mycolate completely, as well as inhibit enzymatic activity of MenG (IC50 = 9.11 and 6.25 μg/ml respectively for H37Ra; IC50 = 11.76 and 10.88 μg/ml respectively for M smegmatis).
Effect of New Analogs of Hexyloxy Phenyl Imidazoline on Quorum Sensing in Chromobacterium violaceum and in Silico Analysis of Ligand-Receptor Interactions
Bello, Martiniano,Correa-Basurto, José,Curiel-Quesada, Everardo,Herrera-Arizmendi, José Luis,Reyes-Arellano, Alicia
, (2020/03/17)
The increasing common occurrence of antibiotic-resistant bacteria has become an urgent public health issue. There are currently some infections without any effective treatment, which require new therapeutic strategies. An attractive alternative is the design of compounds capable of disrupting bacterial communication known as quorum sensing (QS). In Gram-negative bacteria, such communication is regulated by acyl-homoserine lactones (AHLs). Triggering of QS after bacteria have reached a high cell density allows them to proliferate before expressing virulence factors. Our group previously reported that hexyloxy phenylimidazoline (9) demonstrated 71% inhibitory activity of QS at 100 μM (IC50 = 90.9 μM) in Chromobacterium violaceum, a Gram-negative bacterium. The aim of the present study was to take 9 as a lead compound to design and synthesize three 2-imidazolines (13-15) and three 2-oxazolines (16-18), to be evaluated as quorum-sensing inhibitors on C. violaceum CV026. We were looking for compounds with a higher affinity towards the Cvi receptor of this bacterium and the ability to inhibit QS. The binding mode of the test compounds on the Cvi receptor was explored with docking studies and molecular dynamics. It was found that 8-pentyloxyphenyl-2-imidazoline (13) reduced the production of violacein (IC50 = 56.38 μM) without affecting bacterial growth, suggesting inhibition of quorum sensing. Indeed, compound 13 is apparently one of the best QS inhibitors known to date. Molecular docking revealed the affinity of compound 13 for the orthosteric site of N-hexanoyl homoserine lactone (C6-AHL) on the CviR protein. Ten amino acid residues in the active binding site of C6-AHL in the Cvi receptor interacted with 13, and 7 of these are the same as those interacting with AHL. Contrarily, 8-octyloxyphenyl-2-imidazoline (14), 8-decyloxyphenyl-2-imidazoline (15), and 9-decyloxyphenyl-2-oxazoline (18) bound only to an allosteric site and thus did not compete with C6-AHL for the orthosteric site.
